CID 491035

Ethyl n-[5-fluoro-6-(3-methyl-1-piperidyl)-1-propyl-benzimidazol-2-yl]carbamate

Structural Information

Molecular Formula
C19H27FN4O2
SMILES
CCCN1C2=CC(=C(C=C2N=C1NC(=O)OCC)F)N3CCCC(C3)C
InChI
InChI=1S/C19H27FN4O2/c1-4-8-24-17-11-16(23-9-6-7-13(3)12-23)14(20)10-15(17)21-18(24)22-19(25)26-5-2/h10-11,13H,4-9,12H2,1-3H3,(H,21,22,25)
InChIKey
OMRMIHQCLNIWPG-UHFFFAOYSA-N
Compound name
ethyl N-[5-fluoro-6-(3-methylpiperidin-1-yl)-1-propylbenzimidazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.2118 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.21908 189.1
[M+Na]+ 385.20102 196.4
[M-H]- 361.20452 191.4
[M+NH4]+ 380.24562 200.7
[M+K]+ 401.17496 191.2
[M+H-H2O]+ 345.20906 178.2
[M+HCOO]- 407.21000 204.9
[M+CH3COO]- 421.22565 219.6
[M+Na-2H]- 383.18647 188.0
[M]+ 362.21125 189.7
[M]- 362.21235 189.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.